1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea

C10H14N4O5S — CID 61131314

IUPAC1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
SMILESNS(=O)(=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)6-2-5-12-10(15)13-8-3-1-4-9(7-8)14(16)17/h1,3-4,7H,2,5-6H2,(H2,11,18,19)(H2,12,13,15)
InChIKeyQWAYSQZTSWSJMM-UHFFFAOYSA-N
MW302.31 g/mol
LogP0.39
Rot. Bonds6

About 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea

1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea (PubChem CID 61131314) has the molecular formula C10H14N4O5S and a molecular weight of 302.31 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
PubChem CID61131314
Molecular FormulaC10H14N4O5S
Molecular Weight302.31 g/mol
Exact Mass302.07
IUPAC Name1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea
SMILESNS(=O)(=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C10H14N4O5S/c11-20(18,19)6-2-5-12-10(15)13-8-3-1-4-9(7-8)14(16)17/h1,3-4,7H,2,5-6H2,(H2,11,18,19)(H2,12,13,15)
InChIKeyQWAYSQZTSWSJMM-UHFFFAOYSA-N
XLogP0.39
TPSA144.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-nitrophenyl)-3-(3-sulfamoylpropyl)urea
CID 61131418
1-(3-methylphenyl)-3-(3-sulfamoylpropyl)urea
CID 61132641
1-(3-nitrophenyl)-3-(3-piperidin-1-ylpropyl)urea
CID 24626894
1-[3-(2-methoxyethoxy)propyl]-3-(3-nitrophenyl)urea
CID 24626919
1-(2-azidoethyl)-3-(3-nitrophenyl)urea
CID 61343252
1-(3-nitrophenyl)-3-[2-(propylamino)ethyl]urea
CID 55100826
3-[(4-bromophenyl)carbamoylamino]-N-(3-nitrophenyl)propanamide
CID 55773716
1-[2-(3-bromophenyl)ethyl]-3-(3-nitrophenyl)urea
CID 108901627
1-(3-hydroxypentyl)-3-(3-nitrophenyl)urea
CID 115701849
1-[3-(4-tert-butylphenoxy)propyl]-3-(3-nitrophenyl)urea
CID 108882747
propan-2-yl 3-[(3-nitrophenyl)carbamoylamino]propanoate
CID 51244401
1-[2-(N-methylanilino)ethyl]-3-(3-nitrophenyl)urea
CID 27870936

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The IUPAC name of 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea (CID 61131314) is 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea.
What is the SMILES notation for 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The canonical SMILES for 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea is NS(=O)(=O)CCCNC(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
The InChIKey is QWAYSQZTSWSJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O5S/c11-20(18,19)6-2-5-12-10(15)13-8-3-1-4-9(7-8)14(16)17/h1,3-4,7H,2,5-6H2,(H2,11,18,19)(H2,12,13,15).
What are the key properties of 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea?
1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea has a molecular weight of 302.31 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-(3-sulfamoylpropyl)urea is sourced from PubChem (CID 61131314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).